USER MOD reduce.3.24.130724 H: found=0, std=0, add=351, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 352 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= 0.281 X(o=-0.49,f=-0.76) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.774 X(o=-0.49,f=-0.76) USER MOD Single : A 33 ASN : amide:sc=-0.00661 X(o=-0.0066,f=0) USER MOD Single : A 34 MET CE :methyl 163:sc= -0.0638 (180deg=-0.427) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 110:sc= 0.00451 USER MOD Single : A 48 THR OG1 : rot -50:sc= 0.83 USER MOD Single : A 50 GLN : amide:sc= -0.722 K(o=-0.72,f=-4.9!) USER MOD Single : A 52 HIS : no HE2:sc= -0.102 K(o=-0.1,f=-2.9!) USER MOD Single : A 56 MET CE :methyl 166:sc= -0.119 (180deg=-0.468) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 0.534 (180deg=0.411) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.053 (180deg=-0.322) USER MOD Single : A 63 SER OG : rot -151:sc= 0.748 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 33 0.088 16.003 5.185 1.00 0.00 N ATOM 2 CA ASN A 33 -0.683 14.791 5.417 1.00 0.00 C ATOM 3 C ASN A 33 -1.546 14.456 4.203 1.00 0.00 C ATOM 4 O ASN A 33 -2.655 14.971 4.048 1.00 0.00 O ATOM 5 CB ASN A 33 -1.559 14.934 6.671 1.00 0.00 C ATOM 6 CG ASN A 33 -2.022 13.592 7.208 1.00 0.00 C ATOM 7 OD1 ASN A 33 -3.057 13.065 6.803 1.00 0.00 O ATOM 8 ND2 ASN A 33 -1.257 13.032 8.130 1.00 0.00 N ATOM 0 HA ASN A 33 0.019 13.972 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.998 15.458 7.445 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.428 15.548 6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.518 12.131 8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.406 13.501 8.440 1.00 0.00 H new ATOM 15 N MET A 34 -1.020 13.604 3.338 1.00 0.00 N ATOM 16 CA MET A 34 -1.734 13.153 2.156 1.00 0.00 C ATOM 17 C MET A 34 -1.958 11.650 2.244 1.00 0.00 C ATOM 18 O MET A 34 -0.998 10.881 2.286 1.00 0.00 O ATOM 19 CB MET A 34 -0.941 13.504 0.887 1.00 0.00 C ATOM 20 CG MET A 34 -1.642 13.118 -0.411 1.00 0.00 C ATOM 21 SD MET A 34 -0.665 13.491 -1.881 1.00 0.00 S ATOM 22 CE MET A 34 0.723 12.376 -1.686 1.00 0.00 C ATOM 0 H MET A 34 -0.086 13.206 3.436 1.00 0.00 H new ATOM 0 HA MET A 34 -2.699 13.656 2.105 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.747 14.577 0.878 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.027 13.005 0.927 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.867 12.052 -0.392 1.00 0.00 H new ATOM 0 HG3 MET A 34 -2.595 13.643 -0.472 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.242 12.271 -2.639 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.410 12.777 -0.940 1.00 0.00 H new ATOM 0 HE3 MET A 34 0.363 11.400 -1.360 1.00 0.00 H new ATOM 32 N THR A 35 -3.216 11.232 2.285 1.00 0.00 N ATOM 33 CA THR A 35 -3.539 9.817 2.392 1.00 0.00 C ATOM 34 C THR A 35 -3.875 9.202 1.028 1.00 0.00 C ATOM 35 O THR A 35 -4.753 9.673 0.311 1.00 0.00 O ATOM 36 CB THR A 35 -4.688 9.581 3.398 1.00 0.00 C ATOM 37 OG1 THR A 35 -5.748 10.511 3.164 1.00 0.00 O ATOM 38 CG2 THR A 35 -4.198 9.723 4.832 1.00 0.00 C ATOM 0 H THR A 35 -4.026 11.850 2.246 1.00 0.00 H new ATOM 0 HA THR A 35 -2.648 9.314 2.767 1.00 0.00 H new ATOM 0 HB THR A 35 -5.055 8.565 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.471 10.351 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.027 9.552 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.413 8.992 5.022 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.803 10.727 4.984 1.00 0.00 H new ATOM 46 N VAL A 36 -3.156 8.141 0.692 1.00 0.00 N ATOM 47 CA VAL A 36 -3.328 7.420 -0.558 1.00 0.00 C ATOM 48 C VAL A 36 -3.805 5.995 -0.274 1.00 0.00 C ATOM 49 O VAL A 36 -3.635 5.483 0.831 1.00 0.00 O ATOM 50 CB VAL A 36 -2.011 7.373 -1.396 1.00 0.00 C ATOM 51 CG1 VAL A 36 -1.617 8.767 -1.865 1.00 0.00 C ATOM 52 CG2 VAL A 36 -0.860 6.739 -0.613 1.00 0.00 C ATOM 0 H VAL A 36 -2.427 7.752 1.290 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.075 7.956 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.209 6.748 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.697 8.709 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.412 9.181 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.459 9.411 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.037 6.726 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.670 7.320 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.126 5.718 -0.338 1.00 0.00 H new ATOM 62 N ASP A 37 -4.408 5.372 -1.269 1.00 0.00 N ATOM 63 CA ASP A 37 -4.814 3.978 -1.169 1.00 0.00 C ATOM 64 C ASP A 37 -3.779 3.088 -1.816 1.00 0.00 C ATOM 65 O ASP A 37 -3.359 3.331 -2.943 1.00 0.00 O ATOM 66 CB ASP A 37 -6.181 3.755 -1.813 1.00 0.00 C ATOM 67 CG ASP A 37 -7.313 4.197 -0.919 1.00 0.00 C ATOM 68 OD1 ASP A 37 -7.739 3.398 -0.064 1.00 0.00 O ATOM 69 OD2 ASP A 37 -7.792 5.338 -1.078 1.00 0.00 O ATOM 0 H ASP A 37 -4.630 5.811 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.894 3.722 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.230 4.301 -2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.300 2.698 -2.051 1.00 0.00 H new ATOM 74 N ILE A 38 -3.336 2.090 -1.071 1.00 0.00 N ATOM 75 CA ILE A 38 -2.380 1.105 -1.572 1.00 0.00 C ATOM 76 C ILE A 38 -2.973 -0.298 -1.535 1.00 0.00 C ATOM 77 O ILE A 38 -3.510 -0.723 -0.534 1.00 0.00 O ATOM 78 CB ILE A 38 -1.038 1.114 -0.790 1.00 0.00 C ATOM 79 CG1 ILE A 38 -1.263 0.958 0.727 1.00 0.00 C ATOM 80 CG2 ILE A 38 -0.273 2.388 -1.096 1.00 0.00 C ATOM 81 CD1 ILE A 38 -0.059 0.438 1.470 1.00 0.00 C ATOM 0 H ILE A 38 -3.625 1.936 -0.105 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.168 1.390 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.447 0.258 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.546 1.924 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.101 0.281 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.667 2.389 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.067 2.441 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.869 3.251 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.294 0.355 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.213 -0.543 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.776 1.126 1.336 1.00 0.00 H new ATOM 93 N LEU A 39 -2.854 -1.014 -2.625 1.00 0.00 N ATOM 94 CA LEU A 39 -3.411 -2.344 -2.752 1.00 0.00 C ATOM 95 C LEU A 39 -2.275 -3.359 -2.838 1.00 0.00 C ATOM 96 O LEU A 39 -1.426 -3.258 -3.709 1.00 0.00 O ATOM 97 CB LEU A 39 -4.295 -2.378 -4.010 1.00 0.00 C ATOM 98 CG LEU A 39 -5.537 -3.279 -3.966 1.00 0.00 C ATOM 99 CD1 LEU A 39 -6.465 -2.938 -5.114 1.00 0.00 C ATOM 100 CD2 LEU A 39 -5.168 -4.748 -4.025 1.00 0.00 C ATOM 0 H LEU A 39 -2.364 -0.690 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.022 -2.599 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.623 -1.360 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.677 -2.695 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.043 -3.098 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.344 -3.582 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.775 -1.896 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.945 -3.090 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.074 -5.352 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.630 -4.951 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.533 -4.998 -3.175 1.00 0.00 H new ATOM 112 N CYS A 40 -2.266 -4.326 -1.921 1.00 0.00 N ATOM 113 CA CYS A 40 -1.199 -5.334 -1.844 1.00 0.00 C ATOM 114 C CYS A 40 -1.154 -6.274 -3.028 1.00 0.00 C ATOM 115 O CYS A 40 -2.168 -6.598 -3.648 1.00 0.00 O ATOM 116 CB CYS A 40 -1.349 -6.202 -0.619 1.00 0.00 C ATOM 117 SG CYS A 40 -0.441 -5.666 0.849 1.00 0.00 S ATOM 0 H CYS A 40 -2.992 -4.436 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.282 -4.745 -1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.408 -6.259 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.027 -7.212 -0.872 1.00 0.00 H new ATOM 122 N ASN A 41 0.048 -6.751 -3.277 1.00 0.00 N ATOM 123 CA ASN A 41 0.284 -7.798 -4.253 1.00 0.00 C ATOM 124 C ASN A 41 0.311 -9.172 -3.559 1.00 0.00 C ATOM 125 O ASN A 41 0.390 -10.211 -4.215 1.00 0.00 O ATOM 126 CB ASN A 41 1.610 -7.542 -4.964 1.00 0.00 C ATOM 127 CG ASN A 41 1.663 -6.192 -5.666 1.00 0.00 C ATOM 128 OD1 ASN A 41 0.663 -5.711 -6.199 1.00 0.00 O ATOM 129 ND2 ASN A 41 2.825 -5.558 -5.655 1.00 0.00 N ATOM 0 H ASN A 41 0.892 -6.423 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.523 -7.795 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.421 -7.599 -4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.781 -8.332 -5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.911 -4.643 -6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.635 -5.985 -5.204 1.00 0.00 H new ATOM 136 N ASP A 42 0.248 -9.154 -2.217 1.00 0.00 N ATOM 137 CA ASP A 42 0.334 -10.364 -1.407 1.00 0.00 C ATOM 138 C ASP A 42 -1.006 -10.741 -0.764 1.00 0.00 C ATOM 139 O ASP A 42 -1.509 -11.831 -1.003 1.00 0.00 O ATOM 140 CB ASP A 42 1.429 -10.204 -0.331 1.00 0.00 C ATOM 141 CG ASP A 42 1.449 -8.832 0.326 1.00 0.00 C ATOM 142 OD1 ASP A 42 0.674 -8.592 1.265 1.00 0.00 O ATOM 143 OD2 ASP A 42 2.215 -7.977 -0.120 1.00 0.00 O ATOM 0 H ASP A 42 0.136 -8.299 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 42 0.600 -11.183 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.283 -10.963 0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.402 -10.393 -0.785 1.00 0.00 H new ATOM 148 N CYS A 43 -1.607 -9.831 0.018 1.00 0.00 N ATOM 149 CA CYS A 43 -2.889 -10.119 0.667 1.00 0.00 C ATOM 150 C CYS A 43 -4.042 -9.682 -0.221 1.00 0.00 C ATOM 151 O CYS A 43 -5.185 -10.032 0.054 1.00 0.00 O ATOM 152 CB CYS A 43 -2.999 -9.474 2.081 1.00 0.00 C ATOM 153 SG CYS A 43 -3.302 -7.666 2.158 1.00 0.00 S ATOM 0 H CYS A 43 -1.230 -8.903 0.213 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.944 -11.198 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.804 -9.974 2.619 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.076 -9.685 2.621 1.00 0.00 H new ATOM 158 N ASN A 44 -3.699 -8.938 -1.307 1.00 0.00 N ATOM 159 CA ASN A 44 -4.663 -8.387 -2.289 1.00 0.00 C ATOM 160 C ASN A 44 -5.703 -7.479 -1.619 1.00 0.00 C ATOM 161 O ASN A 44 -6.852 -7.398 -2.046 1.00 0.00 O ATOM 162 CB ASN A 44 -5.337 -9.515 -3.093 1.00 0.00 C ATOM 163 CG ASN A 44 -4.348 -10.286 -3.942 1.00 0.00 C ATOM 164 OD1 ASN A 44 -3.761 -11.268 -3.496 1.00 0.00 O ATOM 165 ND2 ASN A 44 -4.147 -9.845 -5.169 1.00 0.00 N ATOM 0 H ASN A 44 -2.731 -8.703 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.101 -7.767 -2.987 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.835 -10.200 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.109 -9.090 -3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.486 -10.323 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.653 -9.026 -5.506 1.00 0.00 H new ATOM 172 N GLY A 45 -5.260 -6.772 -0.588 1.00 0.00 N ATOM 173 CA GLY A 45 -6.126 -5.891 0.153 1.00 0.00 C ATOM 174 C GLY A 45 -5.584 -4.492 0.196 1.00 0.00 C ATOM 175 O GLY A 45 -4.364 -4.290 0.212 1.00 0.00 O ATOM 0 H GLY A 45 -4.298 -6.798 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.116 -5.885 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.246 -6.267 1.169 1.00 0.00 H new ATOM 179 N ARG A 46 -6.492 -3.532 0.231 1.00 0.00 N ATOM 180 CA ARG A 46 -6.133 -2.126 0.183 1.00 0.00 C ATOM 181 C ARG A 46 -6.103 -1.505 1.577 1.00 0.00 C ATOM 182 O ARG A 46 -6.710 -2.014 2.519 1.00 0.00 O ATOM 183 CB ARG A 46 -7.085 -1.351 -0.741 1.00 0.00 C ATOM 184 CG ARG A 46 -8.554 -1.485 -0.377 1.00 0.00 C ATOM 185 CD ARG A 46 -9.434 -0.693 -1.316 1.00 0.00 C ATOM 186 NE ARG A 46 -9.454 0.735 -1.027 1.00 0.00 N ATOM 187 CZ ARG A 46 -10.442 1.551 -1.403 1.00 0.00 C ATOM 188 NH1 ARG A 46 -11.500 1.090 -2.052 1.00 0.00 N ATOM 189 NH2 ARG A 46 -10.370 2.831 -1.131 1.00 0.00 N ATOM 0 H ARG A 46 -7.495 -3.705 0.293 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.125 -2.058 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.813 -0.296 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.943 -1.699 -1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.842 -2.536 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.709 -1.140 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.089 -0.844 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.451 -1.081 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.671 1.133 -0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.570 0.097 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.245 1.728 -2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.561 3.202 -0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.123 3.456 -1.417 1.00 0.00 H new ATOM 203 N SER A 47 -5.351 -0.418 1.685 1.00 0.00 N ATOM 204 CA SER A 47 -5.191 0.326 2.924 1.00 0.00 C ATOM 205 C SER A 47 -5.120 1.814 2.613 1.00 0.00 C ATOM 206 O SER A 47 -4.332 2.223 1.758 1.00 0.00 O ATOM 207 CB SER A 47 -3.895 -0.092 3.637 1.00 0.00 C ATOM 208 OG SER A 47 -3.867 -1.482 3.909 1.00 0.00 O ATOM 0 H SER A 47 -4.828 -0.024 0.903 1.00 0.00 H new ATOM 0 HA SER A 47 -6.042 0.114 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.038 0.174 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.799 0.463 4.570 1.00 0.00 H new ATOM 0 HG SER A 47 -3.200 -1.914 3.335 1.00 0.00 H new ATOM 214 N THR A 48 -5.939 2.621 3.283 1.00 0.00 N ATOM 215 CA THR A 48 -5.799 4.064 3.173 1.00 0.00 C ATOM 216 C THR A 48 -4.793 4.530 4.215 1.00 0.00 C ATOM 217 O THR A 48 -5.060 4.529 5.418 1.00 0.00 O ATOM 218 CB THR A 48 -7.135 4.808 3.361 1.00 0.00 C ATOM 219 OG1 THR A 48 -8.182 4.125 2.665 1.00 0.00 O ATOM 220 CG2 THR A 48 -7.022 6.231 2.828 1.00 0.00 C ATOM 0 H THR A 48 -6.691 2.305 3.895 1.00 0.00 H new ATOM 0 HA THR A 48 -5.454 4.296 2.165 1.00 0.00 H new ATOM 0 HB THR A 48 -7.368 4.837 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.897 3.940 1.746 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.972 6.748 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.239 6.761 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.775 6.203 1.767 1.00 0.00 H new ATOM 228 N VAL A 49 -3.634 4.917 3.724 1.00 0.00 N ATOM 229 CA VAL A 49 -2.484 5.221 4.558 1.00 0.00 C ATOM 230 C VAL A 49 -1.907 6.570 4.181 1.00 0.00 C ATOM 231 O VAL A 49 -2.157 7.056 3.093 1.00 0.00 O ATOM 232 CB VAL A 49 -1.372 4.143 4.416 1.00 0.00 C ATOM 233 CG1 VAL A 49 -1.807 2.821 5.016 1.00 0.00 C ATOM 234 CG2 VAL A 49 -0.985 3.936 2.958 1.00 0.00 C ATOM 0 H VAL A 49 -3.460 5.031 2.726 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.828 5.234 5.592 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.503 4.509 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.008 2.089 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.025 2.956 6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.701 2.466 4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.206 3.177 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.858 3.610 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.614 4.873 2.543 1.00 0.00 H new ATOM 244 N GLN A 50 -1.135 7.168 5.074 1.00 0.00 N ATOM 245 CA GLN A 50 -0.415 8.389 4.741 1.00 0.00 C ATOM 246 C GLN A 50 0.770 8.004 3.846 1.00 0.00 C ATOM 247 O GLN A 50 1.439 6.991 4.101 1.00 0.00 O ATOM 248 CB GLN A 50 0.037 9.108 6.028 1.00 0.00 C ATOM 249 CG GLN A 50 0.139 10.634 5.904 1.00 0.00 C ATOM 250 CD GLN A 50 1.383 11.135 5.179 1.00 0.00 C ATOM 251 OE1 GLN A 50 1.346 12.152 4.495 1.00 0.00 O ATOM 252 NE2 GLN A 50 2.499 10.447 5.340 1.00 0.00 N ATOM 0 H GLN A 50 -0.991 6.833 6.026 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.055 9.088 4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.663 8.867 6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.009 8.715 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.743 11.002 5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.119 11.068 6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.500 9.604 5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.360 10.758 4.890 1.00 0.00 H new ATOM 261 N PHE A 51 0.981 8.794 2.785 1.00 0.00 N ATOM 262 CA PHE A 51 2.010 8.528 1.781 1.00 0.00 C ATOM 263 C PHE A 51 3.407 8.608 2.383 1.00 0.00 C ATOM 264 O PHE A 51 3.902 9.681 2.748 1.00 0.00 O ATOM 265 CB PHE A 51 1.872 9.505 0.608 1.00 0.00 C ATOM 266 CG PHE A 51 2.850 9.262 -0.518 1.00 0.00 C ATOM 267 CD1 PHE A 51 2.678 8.191 -1.378 1.00 0.00 C ATOM 268 CD2 PHE A 51 3.942 10.099 -0.711 1.00 0.00 C ATOM 269 CE1 PHE A 51 3.570 7.957 -2.408 1.00 0.00 C ATOM 270 CE2 PHE A 51 4.835 9.867 -1.737 1.00 0.00 C ATOM 271 CZ PHE A 51 4.649 8.797 -2.588 1.00 0.00 C ATOM 0 H PHE A 51 0.439 9.638 2.602 1.00 0.00 H new ATOM 0 HA PHE A 51 1.866 7.512 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.858 9.441 0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.007 10.521 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.835 7.529 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.094 10.940 -0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.422 7.117 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.681 10.524 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.346 8.618 -3.393 1.00 0.00 H new ATOM 281 N HIS A 52 4.023 7.444 2.477 1.00 0.00 N ATOM 282 CA HIS A 52 5.352 7.307 3.014 1.00 0.00 C ATOM 283 C HIS A 52 6.322 7.082 1.860 1.00 0.00 C ATOM 284 O HIS A 52 6.178 6.129 1.102 1.00 0.00 O ATOM 285 CB HIS A 52 5.377 6.152 4.034 1.00 0.00 C ATOM 286 CG HIS A 52 6.600 6.089 4.905 1.00 0.00 C ATOM 287 ND1 HIS A 52 7.354 4.954 5.049 1.00 0.00 N ATOM 288 CD2 HIS A 52 7.165 7.011 5.705 1.00 0.00 C ATOM 289 CE1 HIS A 52 8.326 5.178 5.904 1.00 0.00 C ATOM 290 NE2 HIS A 52 8.236 6.420 6.313 1.00 0.00 N ATOM 0 H HIS A 52 3.606 6.563 2.178 1.00 0.00 H new ATOM 0 HA HIS A 52 5.657 8.211 3.542 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.499 6.236 4.675 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.288 5.210 3.493 1.00 0.00 H new ATOM 0 HD1 HIS A 52 7.186 4.071 4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.833 8.030 5.841 1.00 0.00 H new ATOM 0 HE1 HIS A 52 9.071 4.462 6.216 1.00 0.00 H new ATOM 299 N ILE A 53 7.295 7.975 1.733 1.00 0.00 N ATOM 300 CA ILE A 53 8.252 7.963 0.618 1.00 0.00 C ATOM 301 C ILE A 53 9.152 6.711 0.689 1.00 0.00 C ATOM 302 O ILE A 53 9.539 6.143 -0.335 1.00 0.00 O ATOM 303 CB ILE A 53 9.094 9.295 0.582 1.00 0.00 C ATOM 304 CG1 ILE A 53 8.237 10.505 0.145 1.00 0.00 C ATOM 305 CG2 ILE A 53 10.315 9.205 -0.336 1.00 0.00 C ATOM 306 CD1 ILE A 53 7.380 11.130 1.232 1.00 0.00 C ATOM 0 H ILE A 53 7.449 8.733 2.398 1.00 0.00 H new ATOM 0 HA ILE A 53 7.695 7.913 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 53 9.440 9.439 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.901 11.272 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.585 10.190 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.854 10.152 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.972 8.407 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.990 8.991 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.821 11.969 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.684 10.386 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.019 11.484 2.041 1.00 0.00 H new ATOM 318 N LEU A 54 9.400 6.229 1.909 1.00 0.00 N ATOM 319 CA LEU A 54 10.193 5.015 2.123 1.00 0.00 C ATOM 320 C LEU A 54 9.311 3.749 2.088 1.00 0.00 C ATOM 321 O LEU A 54 9.763 2.663 2.441 1.00 0.00 O ATOM 322 CB LEU A 54 10.972 5.080 3.460 1.00 0.00 C ATOM 323 CG LEU A 54 12.159 6.070 3.557 1.00 0.00 C ATOM 324 CD1 LEU A 54 13.063 5.979 2.337 1.00 0.00 C ATOM 325 CD2 LEU A 54 11.692 7.500 3.777 1.00 0.00 C ATOM 0 H LEU A 54 9.061 6.663 2.768 1.00 0.00 H new ATOM 0 HA LEU A 54 10.911 4.956 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.263 5.329 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.351 4.081 3.676 1.00 0.00 H new ATOM 0 HG LEU A 54 12.741 5.777 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.885 6.688 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 54 13.463 4.968 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.490 6.216 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.557 8.160 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.059 7.808 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.124 7.558 4.705 1.00 0.00 H new ATOM 337 N GLY A 55 8.059 3.889 1.655 1.00 0.00 N ATOM 338 CA GLY A 55 7.183 2.747 1.495 1.00 0.00 C ATOM 339 C GLY A 55 5.989 2.781 2.414 1.00 0.00 C ATOM 340 O GLY A 55 6.136 2.818 3.629 1.00 0.00 O ATOM 0 H GLY A 55 7.636 4.784 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.837 2.704 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.749 1.834 1.679 1.00 0.00 H new ATOM 344 N MET A 56 4.806 2.765 1.826 1.00 0.00 N ATOM 345 CA MET A 56 3.557 2.715 2.577 1.00 0.00 C ATOM 346 C MET A 56 3.322 1.306 3.133 1.00 0.00 C ATOM 347 O MET A 56 3.555 0.309 2.446 1.00 0.00 O ATOM 348 CB MET A 56 2.367 3.115 1.694 1.00 0.00 C ATOM 349 CG MET A 56 2.300 4.585 1.286 1.00 0.00 C ATOM 350 SD MET A 56 3.494 5.064 0.016 1.00 0.00 S ATOM 351 CE MET A 56 2.957 4.110 -1.401 1.00 0.00 C ATOM 0 H MET A 56 4.680 2.786 0.814 1.00 0.00 H new ATOM 0 HA MET A 56 3.639 3.423 3.402 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.392 2.508 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.447 2.863 2.222 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.295 4.803 0.923 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.461 5.202 2.170 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.440 4.491 -2.301 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.228 3.064 -1.259 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.875 4.193 -1.507 1.00 0.00 H new ATOM 361 N LYS A 57 2.861 1.233 4.377 1.00 0.00 N ATOM 362 CA LYS A 57 2.632 -0.051 5.028 1.00 0.00 C ATOM 363 C LYS A 57 1.134 -0.335 5.170 1.00 0.00 C ATOM 364 O LYS A 57 0.386 0.454 5.736 1.00 0.00 O ATOM 365 CB LYS A 57 3.342 -0.084 6.389 1.00 0.00 C ATOM 366 CG LYS A 57 3.189 -1.395 7.155 1.00 0.00 C ATOM 367 CD LYS A 57 4.089 -1.458 8.389 1.00 0.00 C ATOM 368 CE LYS A 57 3.779 -0.365 9.409 1.00 0.00 C ATOM 369 NZ LYS A 57 2.390 -0.454 9.935 1.00 0.00 N ATOM 0 H LYS A 57 2.639 2.045 4.953 1.00 0.00 H new ATOM 0 HA LYS A 57 3.052 -0.840 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.404 0.109 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.956 0.728 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.150 -1.515 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.425 -2.229 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.978 -2.433 8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.130 -1.372 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.483 -0.436 10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.927 0.611 8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.219 0.329 10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.715 -0.394 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.264 -1.360 10.430 1.00 0.00 H new ATOM 383 N CYS A 58 0.729 -1.475 4.622 1.00 0.00 N ATOM 384 CA CYS A 58 -0.656 -1.949 4.669 1.00 0.00 C ATOM 385 C CYS A 58 -1.027 -2.413 6.074 1.00 0.00 C ATOM 386 O CYS A 58 -0.294 -3.166 6.673 1.00 0.00 O ATOM 387 CB CYS A 58 -0.792 -3.076 3.634 1.00 0.00 C ATOM 388 SG CYS A 58 -2.056 -4.371 3.910 1.00 0.00 S ATOM 0 H CYS A 58 1.358 -2.106 4.126 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.349 -1.143 4.426 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.996 -2.615 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.176 -3.570 3.554 1.00 0.00 H new ATOM 393 N LYS A 59 -2.175 -1.956 6.577 1.00 0.00 N ATOM 394 CA LYS A 59 -2.607 -2.230 7.962 1.00 0.00 C ATOM 395 C LYS A 59 -3.130 -3.661 8.145 1.00 0.00 C ATOM 396 O LYS A 59 -3.247 -4.135 9.271 1.00 0.00 O ATOM 397 CB LYS A 59 -3.702 -1.240 8.400 1.00 0.00 C ATOM 398 CG LYS A 59 -3.215 0.045 9.075 1.00 0.00 C ATOM 399 CD LYS A 59 -2.307 0.870 8.180 1.00 0.00 C ATOM 400 CE LYS A 59 -2.148 2.298 8.683 1.00 0.00 C ATOM 401 NZ LYS A 59 -3.415 3.070 8.588 1.00 0.00 N ATOM 0 H LYS A 59 -2.834 -1.388 6.044 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.721 -2.109 8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.288 -0.966 7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.375 -1.754 9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.076 0.647 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.681 -0.210 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.327 0.395 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.713 0.886 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.811 2.281 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.373 2.801 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.205 4.088 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.890 2.848 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.037 2.815 9.381 1.00 0.00 H new ATOM 415 N ILE A 60 -3.444 -4.338 7.032 1.00 0.00 N ATOM 416 CA ILE A 60 -3.981 -5.704 7.058 1.00 0.00 C ATOM 417 C ILE A 60 -2.888 -6.721 7.406 1.00 0.00 C ATOM 418 O ILE A 60 -3.081 -7.576 8.262 1.00 0.00 O ATOM 419 CB ILE A 60 -4.632 -6.078 5.685 1.00 0.00 C ATOM 420 CG1 ILE A 60 -5.735 -5.068 5.325 1.00 0.00 C ATOM 421 CG2 ILE A 60 -5.202 -7.501 5.699 1.00 0.00 C ATOM 422 CD1 ILE A 60 -6.298 -5.210 3.923 1.00 0.00 C ATOM 0 H ILE A 60 -3.333 -3.956 6.093 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.748 -5.737 7.831 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.850 -6.040 4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.551 -5.172 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.336 -4.060 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.646 -7.725 4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.401 -8.212 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.965 -7.580 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.068 -4.456 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.499 -5.074 3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.732 -6.203 3.804 1.00 0.00 H new ATOM 434 N CYS A 61 -1.727 -6.594 6.769 1.00 0.00 N ATOM 435 CA CYS A 61 -0.718 -7.648 6.845 1.00 0.00 C ATOM 436 C CYS A 61 0.691 -7.099 7.081 1.00 0.00 C ATOM 437 O CYS A 61 1.641 -7.876 7.148 1.00 0.00 O ATOM 438 CB CYS A 61 -0.752 -8.469 5.557 1.00 0.00 C ATOM 439 SG CYS A 61 -0.033 -7.603 4.130 1.00 0.00 S ATOM 0 H CYS A 61 -1.464 -5.787 6.204 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.959 -8.276 7.703 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.212 -9.403 5.716 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -1.785 -8.733 5.330 1.00 0.00 H new ATOM 444 N GLU A 62 0.811 -5.757 7.169 1.00 0.00 N ATOM 445 CA GLU A 62 2.080 -5.038 7.491 1.00 0.00 C ATOM 446 C GLU A 62 3.142 -5.167 6.382 1.00 0.00 C ATOM 447 O GLU A 62 4.333 -4.960 6.616 1.00 0.00 O ATOM 448 CB GLU A 62 2.644 -5.475 8.859 1.00 0.00 C ATOM 449 CG GLU A 62 1.709 -5.190 10.029 1.00 0.00 C ATOM 450 CD GLU A 62 1.488 -3.711 10.266 1.00 0.00 C ATOM 451 OE1 GLU A 62 0.637 -3.106 9.582 1.00 0.00 O ATOM 452 OE2 GLU A 62 2.180 -3.142 11.125 1.00 0.00 O ATOM 0 H GLU A 62 0.023 -5.127 7.018 1.00 0.00 H new ATOM 0 HA GLU A 62 1.824 -3.980 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.858 -6.543 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.592 -4.965 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.748 -5.670 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.120 -5.639 10.933 1.00 0.00 H new ATOM 459 N SER A 63 2.689 -5.438 5.162 1.00 0.00 N ATOM 460 CA SER A 63 3.580 -5.602 4.026 1.00 0.00 C ATOM 461 C SER A 63 3.684 -4.303 3.240 1.00 0.00 C ATOM 462 O SER A 63 2.726 -3.518 3.162 1.00 0.00 O ATOM 463 CB SER A 63 3.077 -6.732 3.121 1.00 0.00 C ATOM 464 OG SER A 63 3.928 -6.954 2.008 1.00 0.00 O ATOM 0 H SER A 63 1.700 -5.549 4.937 1.00 0.00 H new ATOM 0 HA SER A 63 4.572 -5.862 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.997 -7.651 3.702 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.075 -6.491 2.766 1.00 0.00 H new ATOM 0 HG SER A 63 3.402 -7.302 1.258 1.00 0.00 H new ATOM 470 N TYR A 64 4.860 -4.106 2.663 1.00 0.00 N ATOM 471 CA TYR A 64 5.174 -2.939 1.853 1.00 0.00 C ATOM 472 C TYR A 64 5.027 -3.248 0.363 1.00 0.00 C ATOM 473 O TYR A 64 5.095 -2.338 -0.462 1.00 0.00 O ATOM 474 CB TYR A 64 6.607 -2.472 2.142 1.00 0.00 C ATOM 475 CG TYR A 64 6.812 -1.900 3.526 1.00 0.00 C ATOM 476 CD1 TYR A 64 7.011 -2.721 4.629 1.00 0.00 C ATOM 477 CD2 TYR A 64 6.808 -0.531 3.724 1.00 0.00 C ATOM 478 CE1 TYR A 64 7.197 -2.186 5.891 1.00 0.00 C ATOM 479 CE2 TYR A 64 6.993 0.009 4.976 1.00 0.00 C ATOM 480 CZ TYR A 64 7.188 -0.813 6.056 1.00 0.00 C ATOM 481 OH TYR A 64 7.360 -0.256 7.303 1.00 0.00 O ATOM 0 H TYR A 64 5.635 -4.763 2.746 1.00 0.00 H new ATOM 0 HA TYR A 64 4.471 -2.148 2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.285 -3.315 2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.885 -1.718 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.021 -3.793 4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.657 0.126 2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.348 -2.835 6.741 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.985 1.081 5.108 1.00 0.00 H new ATOM 0 HH TYR A 64 7.327 0.721 7.232 1.00 0.00 H new ATOM 491 N ASN A 65 4.823 -4.539 0.041 1.00 0.00 N ATOM 492 CA ASN A 65 4.651 -5.006 -1.338 1.00 0.00 C ATOM 493 C ASN A 65 3.252 -4.653 -1.846 1.00 0.00 C ATOM 494 O ASN A 65 2.282 -5.390 -1.641 1.00 0.00 O ATOM 495 CB ASN A 65 4.895 -6.521 -1.405 1.00 0.00 C ATOM 496 CG ASN A 65 4.771 -7.115 -2.800 1.00 0.00 C ATOM 497 OD1 ASN A 65 5.122 -6.491 -3.799 1.00 0.00 O ATOM 498 ND2 ASN A 65 4.240 -8.323 -2.876 1.00 0.00 N ATOM 0 H ASN A 65 4.774 -5.285 0.735 1.00 0.00 H new ATOM 0 HA ASN A 65 5.377 -4.509 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.892 -6.734 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.185 -7.021 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.110 -8.767 -3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.960 -8.812 -2.025 1.00 0.00 H new ATOM 505 N THR A 66 3.155 -3.492 -2.474 1.00 0.00 N ATOM 506 CA THR A 66 1.877 -2.921 -2.865 1.00 0.00 C ATOM 507 C THR A 66 1.987 -2.182 -4.189 1.00 0.00 C ATOM 508 O THR A 66 3.077 -1.965 -4.717 1.00 0.00 O ATOM 509 CB THR A 66 1.333 -1.923 -1.802 1.00 0.00 C ATOM 510 OG1 THR A 66 2.364 -1.025 -1.409 1.00 0.00 O ATOM 511 CG2 THR A 66 0.782 -2.616 -0.568 1.00 0.00 C ATOM 0 H THR A 66 3.960 -2.919 -2.727 1.00 0.00 H new ATOM 0 HA THR A 66 1.188 -3.761 -2.958 1.00 0.00 H new ATOM 0 HB THR A 66 0.510 -1.384 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.015 -0.398 -0.741 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.418 -1.869 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.038 -3.274 -0.856 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.571 -3.204 -0.098 1.00 0.00 H new ATOM 519 N ALA A 67 0.834 -1.814 -4.696 1.00 0.00 N ATOM 520 CA ALA A 67 0.677 -0.964 -5.857 1.00 0.00 C ATOM 521 C ALA A 67 -0.266 0.154 -5.463 1.00 0.00 C ATOM 522 O ALA A 67 -1.170 -0.075 -4.671 1.00 0.00 O ATOM 523 CB ALA A 67 0.104 -1.768 -7.018 1.00 0.00 C ATOM 0 H ALA A 67 -0.057 -2.109 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 67 1.636 -0.558 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.011 -1.121 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.780 -2.587 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.868 -2.172 -6.736 1.00 0.00 H new ATOM 529 N GLN A 68 -0.065 1.356 -5.971 1.00 0.00 N ATOM 530 CA GLN A 68 -0.924 2.468 -5.595 1.00 0.00 C ATOM 531 C GLN A 68 -2.252 2.381 -6.348 1.00 0.00 C ATOM 532 O GLN A 68 -2.286 2.455 -7.581 1.00 0.00 O ATOM 533 CB GLN A 68 -0.235 3.812 -5.842 1.00 0.00 C ATOM 534 CG GLN A 68 -0.966 4.988 -5.205 1.00 0.00 C ATOM 535 CD GLN A 68 -0.231 6.305 -5.352 1.00 0.00 C ATOM 536 OE1 GLN A 68 0.997 6.351 -5.402 1.00 0.00 O ATOM 537 NE2 GLN A 68 -0.982 7.387 -5.417 1.00 0.00 N ATOM 0 H GLN A 68 0.674 1.588 -6.635 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.126 2.401 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.781 3.769 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.156 3.980 -6.916 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.954 5.080 -5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.117 4.781 -4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.998 7.306 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.547 8.305 -5.512 1.00 0.00 H new ATOM 546 N ALA A 69 -3.327 2.185 -5.583 1.00 0.00 N ATOM 547 CA ALA A 69 -4.674 2.070 -6.117 1.00 0.00 C ATOM 548 C ALA A 69 -5.220 3.456 -6.434 1.00 0.00 C ATOM 549 O ALA A 69 -5.526 4.246 -5.531 1.00 0.00 O ATOM 550 CB ALA A 69 -5.572 1.334 -5.130 1.00 0.00 C ATOM 0 H ALA A 69 -3.281 2.102 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.650 1.491 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.578 1.255 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.174 0.335 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.608 1.885 -4.190 1.00 0.00 H new ATOM 556 N GLY A 70 -5.301 3.751 -7.726 1.00 0.00 N ATOM 557 CA GLY A 70 -5.662 5.079 -8.184 1.00 0.00 C ATOM 558 C GLY A 70 -4.447 5.844 -8.688 1.00 0.00 C ATOM 559 O GLY A 70 -4.571 6.974 -9.161 1.00 0.00 O ATOM 0 H GLY A 70 -5.120 3.082 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.401 5.002 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.129 5.632 -7.369 1.00 0.00 H new ATOM 563 N GLY A 71 -3.273 5.207 -8.589 1.00 0.00 N ATOM 564 CA GLY A 71 -2.027 5.813 -9.015 1.00 0.00 C ATOM 565 C GLY A 71 -1.784 5.639 -10.499 1.00 0.00 C ATOM 566 O GLY A 71 -2.310 4.708 -11.111 1.00 0.00 O ATOM 0 H GLY A 71 -3.171 4.264 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.041 6.876 -8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.201 5.370 -8.459 1.00 0.00 H new ATOM 570 N ARG A 72 -0.978 6.527 -11.068 1.00 0.00 N ATOM 571 CA ARG A 72 -0.724 6.547 -12.507 1.00 0.00 C ATOM 572 C ARG A 72 0.261 5.456 -12.916 1.00 0.00 C ATOM 573 O ARG A 72 1.146 5.073 -12.146 1.00 0.00 O ATOM 574 CB ARG A 72 -0.190 7.920 -12.936 1.00 0.00 C ATOM 575 CG ARG A 72 -1.111 9.086 -12.596 1.00 0.00 C ATOM 576 CD ARG A 72 -2.471 8.958 -13.269 1.00 0.00 C ATOM 577 NE ARG A 72 -2.385 9.097 -14.724 1.00 0.00 N ATOM 578 CZ ARG A 72 -3.194 8.492 -15.594 1.00 0.00 C ATOM 579 NH1 ARG A 72 -4.120 7.637 -15.179 1.00 0.00 N ATOM 580 NH2 ARG A 72 -3.056 8.730 -16.886 1.00 0.00 N ATOM 0 H ARG A 72 -0.483 7.252 -10.549 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.671 6.355 -13.012 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.777 8.085 -12.461 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.018 7.910 -14.012 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.245 9.138 -11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.641 10.020 -12.904 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.906 7.989 -13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.143 9.719 -12.872 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.653 9.700 -15.099 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.219 7.436 -14.184 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.733 7.181 -15.855 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.334 9.373 -17.212 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.671 8.271 -17.558 1.00 0.00 H new ATOM 594 N ARG A 73 0.086 4.961 -14.132 1.00 0.00 N ATOM 595 CA ARG A 73 0.905 3.884 -14.658 1.00 0.00 C ATOM 596 C ARG A 73 1.646 4.337 -15.911 1.00 0.00 C ATOM 597 O ARG A 73 1.029 4.649 -16.933 1.00 0.00 O ATOM 598 CB ARG A 73 0.011 2.664 -14.955 1.00 0.00 C ATOM 599 CG ARG A 73 0.719 1.460 -15.585 1.00 0.00 C ATOM 600 CD ARG A 73 1.817 0.899 -14.695 1.00 0.00 C ATOM 601 NE ARG A 73 1.330 0.544 -13.364 1.00 0.00 N ATOM 602 CZ ARG A 73 2.081 0.003 -12.408 1.00 0.00 C ATOM 603 NH1 ARG A 73 3.343 -0.340 -12.648 1.00 0.00 N ATOM 604 NH2 ARG A 73 1.552 -0.218 -11.218 1.00 0.00 N ATOM 0 H ARG A 73 -0.627 5.295 -14.780 1.00 0.00 H new ATOM 0 HA ARG A 73 1.653 3.603 -13.917 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.454 2.342 -14.023 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.793 2.979 -15.621 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.013 0.679 -15.790 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.147 1.755 -16.543 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.249 0.017 -15.168 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.616 1.634 -14.602 1.00 0.00 H new ATOM 0 HE ARG A 73 0.348 0.723 -13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.745 -0.189 -13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.909 -0.754 -11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.578 0.026 -11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.118 -0.632 -10.477 1.00 0.00 H new ATOM 618 N ILE A 74 2.972 4.388 -15.815 1.00 0.00 N ATOM 619 CA ILE A 74 3.813 4.630 -16.983 1.00 0.00 C ATOM 620 C ILE A 74 4.103 3.309 -17.688 1.00 0.00 C ATOM 621 O ILE A 74 4.055 2.247 -17.050 1.00 0.00 O ATOM 622 CB ILE A 74 5.148 5.346 -16.639 1.00 0.00 C ATOM 623 CG1 ILE A 74 5.945 4.572 -15.571 1.00 0.00 C ATOM 624 CG2 ILE A 74 4.864 6.772 -16.189 1.00 0.00 C ATOM 625 CD1 ILE A 74 7.372 5.051 -15.385 1.00 0.00 C ATOM 0 H ILE A 74 3.486 4.265 -14.943 1.00 0.00 H new ATOM 0 HA ILE A 74 3.258 5.300 -17.639 1.00 0.00 H new ATOM 0 HB ILE A 74 5.766 5.377 -17.536 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.422 4.649 -14.618 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.961 3.516 -15.841 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.803 7.271 -15.948 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.360 7.313 -16.990 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.226 6.754 -15.306 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.859 4.452 -14.616 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.916 4.948 -16.324 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.368 6.098 -15.081 1.00 0.00 H new ATOM 637 N SER A 75 4.397 3.403 -18.996 1.00 0.00 N ATOM 638 CA SER A 75 4.628 2.247 -19.879 1.00 0.00 C ATOM 639 C SER A 75 3.403 1.325 -19.924 1.00 0.00 C ATOM 640 O SER A 75 3.359 0.282 -19.265 1.00 0.00 O ATOM 641 CB SER A 75 5.888 1.463 -19.474 1.00 0.00 C ATOM 642 OG SER A 75 7.034 2.297 -19.474 1.00 0.00 O ATOM 0 H SER A 75 4.482 4.298 -19.477 1.00 0.00 H new ATOM 0 HA SER A 75 4.792 2.639 -20.883 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.748 1.033 -18.482 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.040 0.632 -20.163 1.00 0.00 H new ATOM 0 HG SER A 75 7.820 1.773 -19.211 1.00 0.00 H new ATOM 648 N LEU A 76 2.399 1.742 -20.682 1.00 0.00 N ATOM 649 CA LEU A 76 1.186 0.962 -20.843 1.00 0.00 C ATOM 650 C LEU A 76 1.003 0.585 -22.301 1.00 0.00 C ATOM 651 O LEU A 76 0.632 1.414 -23.133 1.00 0.00 O ATOM 652 CB LEU A 76 -0.042 1.728 -20.341 1.00 0.00 C ATOM 653 CG LEU A 76 -1.358 0.951 -20.376 1.00 0.00 C ATOM 654 CD1 LEU A 76 -1.362 -0.143 -19.321 1.00 0.00 C ATOM 655 CD2 LEU A 76 -2.531 1.894 -20.188 1.00 0.00 C ATOM 0 H LEU A 76 2.404 2.622 -21.197 1.00 0.00 H new ATOM 0 HA LEU A 76 1.285 0.057 -20.244 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.144 2.048 -19.316 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.156 2.631 -20.941 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.456 0.475 -21.352 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.307 -0.685 -19.362 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.540 -0.833 -19.510 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.242 0.303 -18.334 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.462 1.327 -20.215 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.441 2.399 -19.226 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.534 2.635 -20.988 1.00 0.00 H new ATOM 667 N ASP A 77 1.291 -0.667 -22.600 1.00 0.00 N ATOM 668 CA ASP A 77 1.092 -1.217 -23.940 1.00 0.00 C ATOM 669 C ASP A 77 -0.207 -2.025 -24.006 1.00 0.00 C ATOM 670 O ASP A 77 -0.557 -2.576 -25.048 1.00 0.00 O ATOM 671 CB ASP A 77 2.293 -2.092 -24.350 1.00 0.00 C ATOM 672 CG ASP A 77 2.564 -3.243 -23.393 1.00 0.00 C ATOM 673 OD1 ASP A 77 3.296 -3.037 -22.408 1.00 0.00 O ATOM 674 OD2 ASP A 77 2.044 -4.355 -23.620 1.00 0.00 O ATOM 0 H ASP A 77 1.669 -1.335 -21.928 1.00 0.00 H new ATOM 0 HA ASP A 77 1.015 -0.386 -24.642 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.115 -2.494 -25.347 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.183 -1.466 -24.413 1.00 0.00 H new ATOM 679 N GLN A 78 -0.921 -2.060 -22.885 1.00 0.00 N ATOM 680 CA GLN A 78 -2.159 -2.823 -22.751 1.00 0.00 C ATOM 681 C GLN A 78 -3.346 -1.975 -23.185 1.00 0.00 C ATOM 682 O GLN A 78 -3.460 -0.816 -22.780 1.00 0.00 O ATOM 683 CB GLN A 78 -2.350 -3.245 -21.292 1.00 0.00 C ATOM 684 CG GLN A 78 -1.145 -3.948 -20.687 1.00 0.00 C ATOM 685 CD GLN A 78 -1.248 -4.118 -19.185 1.00 0.00 C ATOM 686 OE1 GLN A 78 -2.329 -4.265 -18.634 1.00 0.00 O ATOM 687 NE2 GLN A 78 -0.119 -4.049 -18.508 1.00 0.00 N ATOM 0 H GLN A 78 -0.656 -1.557 -22.038 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.096 -3.707 -23.385 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.579 -2.361 -20.696 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.214 -3.906 -21.226 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.033 -4.928 -21.151 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.245 -3.380 -20.921 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.765 -3.926 -19.002 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.129 -4.119 -17.490 1.00 0.00 H new ATOM 696 N GLN A 79 -4.224 -2.552 -23.997 1.00 0.00 N ATOM 697 CA GLN A 79 -5.391 -1.830 -24.494 1.00 0.00 C ATOM 698 C GLN A 79 -6.614 -2.083 -23.610 1.00 0.00 C ATOM 699 O GLN A 79 -6.977 -1.178 -22.843 1.00 0.00 O ATOM 700 CB GLN A 79 -5.665 -2.161 -25.979 1.00 0.00 C ATOM 701 CG GLN A 79 -5.727 -3.647 -26.322 1.00 0.00 C ATOM 702 CD GLN A 79 -5.907 -3.910 -27.805 1.00 0.00 C ATOM 703 OE1 GLN A 79 -6.487 -3.107 -28.533 1.00 0.00 O ATOM 704 NE2 GLN A 79 -5.416 -5.044 -28.264 1.00 0.00 N ATOM 705 OXT GLN A 79 -7.191 -3.191 -23.651 1.00 0.00 O ATOM 0 H GLN A 79 -4.151 -3.515 -24.325 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.175 -0.763 -24.442 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.610 -1.700 -26.267 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.886 -1.698 -26.586 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.811 -4.130 -25.982 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.551 -4.106 -25.775 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.940 -5.687 -27.631 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.512 -5.278 -29.252 1.00 0.00 H new TER 714 GLN A 79 HETATM 715 ZN ZN A 80 -1.474 -6.342 2.798 1.00 0.00 ZN